N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-ethyl-benzamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H27N3O2S/c1-5-17-6-8-18(9-7-17)24(31)30-26(33)28-21-14-15-23-22(16-21)29-25(32-23)19-10-12-20(13-11-19)27(2,3)4/h6-16H,5H2,1-4H3,(H2,28,30,31,33)